SCHEMBL435245

SCHEMBL435245

C[C@H](NCCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)NCCc1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.56
ADRB1 P08588 3/20 0.48
DRD2 P14416 1/20 0.48
ADRA1D P25100 1/20 0.48
DRD3 P35462 2/20 0.48
ABCB11 O95342 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1827166 0.86 ADRB2 (0.63) ADRB2ADRB1DRD2ADRA1DABCB11
Bromide SCHEMBL1825951 0.85 ADRB2 (0.62) ADRB2ADRB1DRD2ADRA1DABCB11
SCHEMBL1827610 0.84 ADRB2 (0.66) ADRB2ADRB1DRD2ADRA1DABCB11
SCHEMBL17101484 0.81 ADRB2 (0.51) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL27810572 0.80 ADRB2 (0.56) ADRB2ADRB1DRD2ADRA1DABCB11
SCHEMBL27970106 0.80 ADRB2 (0.63) ADRB2
SCHEMBL2213519 0.79 ADRB2 (0.60) ADRB2
Trifluoroacetic Acid SCHEMBL2208487 0.78 ADRB2 (0.49) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL17101482 0.78 ADRB2 (0.51) ADRB2ADRB1DRD2ADRA1DABCB11
SCHEMBL2212889 0.77 ADRB2 (0.62) ADRB2ADRB1DRD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011098798-A1 PROCESS FOR PROVIDING A FILLED CANISTER FOR AN INHALER ASTRAZENECA UK LIMITED (GB) 2011-08-18 WO claimed
WO-2011098798-A1 PROCESS FOR PROVIDING A FILLED CANISTER FOR AN INHALER ASTRAZENECA UK LIMITED (GB) 2011-08-18 WO disclosed